cinmethylin

Identification (Source:EPA,EU)

ID 1239
Name cinmethylin
CAS 87818-31-3
IUPAC
Inchi InChI=1S/2C18H26O2/c2*1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h2*5-8,13,16H,9-12H2,1-4H3/t2*16-,17+,18-/m10/s1
CIPAC None allocated
EPA Code 128837
Formula C18H26O2
SMILES O(C2CC1(OC2(C)CC1)C(C)C)Cc3ccccc3C
Status Not Available

Classification

Mode of Action Selective, systemic, absorbed by roots and translocated
Pesticide Type Herbicide
Chemical Group Monoterpene 1,4-cineole
Classification unclassified herbicides

Properties (Source:PubChem)

Molecular Weight 274.40
Physical State Dark orange liquid, colourless in pure form
AlogP 3.67
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 282.83
Polar Surface Area 18.46

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Aquatic invertebrates Acute 48 hour EC50 7.2 mg l-1
Birds Acute LD50 1600 mg kg-1
Fish Acute 96 hour LC50 6.6 mg l-1
Mammals Acute oral LD50 > 4553 mg kg-1
Mammals Short term dietary NOEL 30 ppm diet

Related targets

Target Name RScore (About this table)
asparagine synthetase 1(0,0,0,1) Details
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